3OO7

Crystal structures and biochemical characterization of the bacterial solute receptor AcbH reveal an unprecedented exclusive substrate preference for b-D-galactopyranose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-17
Detector	ADSC QUANTUM 210
Wavelength(s)	0.91841
Spacegroup name	P 21 21 21
Unit cell lengths	39.469, 89.500, 101.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.580 - 2.100
R-factor	0.1669
Rwork	0.164
R-free	0.21994
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	model from SeMet SAD phasing
RMSD bond length	0.009
RMSD bond angle	1.248
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.030		2.010
High resolution limit [Å]	1.960	8.770	1.960
Rmerge	0.158	0.030	0.759
Rmeas		0.033	0.817
Number of reflections	26593	353	1910
<I/σ(I)>	14.53	42.2	3.7
Completeness [%]	100.0	97.8	100
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	2.2M (NH4)2SO4, 100mM citric acid, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K